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1-(1-Pentynyl)-3-benzoylthymine
SpectraBase Compound ID EDvqXClMdok
InChI InChI=1S/C17H16N2O3/c1-3-4-8-11-18-12-13(2)15(20)19(17(18)22)16(21)14-9-6-5-7-10-14/h5-7,9-10,12H,3-4H2,1-2H3
InChIKey LXXSXYCMJHXYGO-UHFFFAOYSA-N
Mol Weight 296.33 g/mol
Molecular Formula C17H16N2O3
Exact Mass 296.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4yQOQDZ5fSi
Name 1-(1-Pentynyl)-3-benzoylthymine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16N2O3
InChI InChI=1S/C17H16N2O3/c1-3-4-8-11-18-12-13(2)15(20)19(17(18)22)16(21)14-9-6-5-7-10-14/h5-7,9-10,12H,3-4H2,1-2H3
InChIKey LXXSXYCMJHXYGO-UHFFFAOYSA-N
Molecular Weight 296.326 g/mol
SMILES C1(N(C(C(=CN1C#CCCC)C)=O)C(=O)c1ccccc1)=O
SPLASH splash10-0pdj-8920000000-088fd6ebae3eb306dd16
Source of Spectrum QE-5-3556-6
Synonyms 3-Benzoyl-5-methyl-1-(1-pentynyl)-2,4(1H,3H)-pyrimidinedione
Wiley ID 844494